N-[(2-bromophenyl)methyl]-2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)acetamide
Chemical Structure Depiction of
N-[(2-bromophenyl)methyl]-2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)acetamide
N-[(2-bromophenyl)methyl]-2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)acetamide
Compound characteristics
| Compound ID: | E645-0461 |
| Compound Name: | N-[(2-bromophenyl)methyl]-2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)acetamide |
| Molecular Weight: | 452.31 |
| Molecular Formula: | C22 H18 Br N3 O3 |
| Smiles: | Cc1ccc2c(c1)N(CC(NCc1ccccc1[Br])=O)C(c1cccnc1O2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1181 |
| logD: | 4.1181 |
| logSw: | -4.2918 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.004 |
| InChI Key: | HQZKBVNVAJCAJO-UHFFFAOYSA-N |